4-(1,3-benzodioxol-5-yl)-1-(cyanomethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(cyanomethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(cyanomethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(cyanomethyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(cyanomethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(cyanomethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2CC#N)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(CN2CC#N)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H20N2O5/c1-26-15-5-2-13(3-6-15)20-19(21(24)25)16(11-23(20)9-8-22)14-4-7-17-18(10-14)28-12-27-17/h2-7,10,16,19-20H,9,11-12H2,1H3,(H,24,25)